1-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-phenoxyethanone

C18H19NO3 — CID 110749866

IUPAC1-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-phenoxyethanone
SMILESCOc1ccc2c(c1)N(C(=O)COc1ccccc1)CCC2
InChIInChI=1S/C18H19NO3/c1-21-16-10-9-14-6-5-11-19(17(14)12-16)18(20)13-22-15-7-3-2-4-8-15/h2-4,7-10,12H,5-6,11,13H2,1H3
InChIKeyUMXNJJVJGPLEDN-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.05
Rot. Bonds4

About 1-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-phenoxyethanone

1-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-phenoxyethanone (PubChem CID 110749866) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 1-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-phenoxyethanone.

Molecular Properties

Compound Name1-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-phenoxyethanone
PubChem CID110749866
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name1-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-phenoxyethanone
SMILESCOc1ccc2c(c1)N(C(=O)COc1ccccc1)CCC2
InChIInChI=1S/C18H19NO3/c1-21-16-10-9-14-6-5-11-19(17(14)12-16)18(20)13-22-15-7-3-2-4-8-15/h2-4,7-10,12H,5-6,11,13H2,1H3
InChIKeyUMXNJJVJGPLEDN-UHFFFAOYSA-N
XLogP3.05
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-2H-quinolin-1-yl)-2-(7-methoxynaphthalen-2-yl)oxyethanone
CID 7652736
1-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxyphenoxy)ethanone
CID 55916431
3-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]benzonitrile
CID 51286920
2-(4-bromophenoxy)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 730148
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-phenylphenoxy)ethanone
CID 2788983
1-(7-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-phenoxyethanone
CID 110662982
2-(2-bromophenoxy)-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 41163763
[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-phenoxypropanoate
CID 36502951
2-(1H-indol-3-yl)-1-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 110749663
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(3-methylbutoxy)phenoxy]ethanone
CID 4732912
tert-butyl 7-methoxy-3,4-dihydro-2H-quinoline-1-carboxylate
CID 59556816
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2-phenoxyacetamide
CID 7527152

Frequently Asked Questions

What is the IUPAC name of 1-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-phenoxyethanone?
The IUPAC name of 1-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-phenoxyethanone (CID 110749866) is 1-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-phenoxyethanone.
What is the SMILES notation for 1-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-phenoxyethanone?
The canonical SMILES for 1-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-phenoxyethanone is COc1ccc2c(c1)N(C(=O)COc1ccccc1)CCC2.
What is the InChIKey of 1-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-phenoxyethanone?
The InChIKey is UMXNJJVJGPLEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-21-16-10-9-14-6-5-11-19(17(14)12-16)18(20)13-22-15-7-3-2-4-8-15/h2-4,7-10,12H,5-6,11,13H2,1H3.
What are the key properties of 1-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-phenoxyethanone?
1-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-phenoxyethanone has a molecular weight of 297.35 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-phenoxyethanone is sourced from PubChem (CID 110749866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).